Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-86588
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Co', 'O']
  • Chemical System: Ba-Co-Nb-O
  • Density: 6.334158554776176
  • Atomic Density: 0.071457788643274
  • Unit Cell Volume: 209.91413651046258
  • Molar Volume: 8.427549850532406
  • Full Formula: Ba3 Nb2 Co1 O9
  • Reduced Formula: Ba3Nb2CoO9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1